SCHEMBL16698581

SCHEMBL16698581

CC(C)(C)C(=O)OCn1ccc2c(Cl)nc(Cl)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC6 Q9UBN7 7/20 0.38
HDAC4 P56524 4/20 0.38
NPC1 O15118 4/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSP90AA1 P07900 2/20 0.35
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
P2RX7 Q99572 1/20 0.32
MEN1 O00255 1/20 0.30
GBA1 P04062 1/20 0.30
MAPT P10636 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30221318 1.00 HDAC1 (0.43) HDAC1HDAC2HDAC6HDAC4NPC1
SCHEMBL18464201 0.84 HDAC1 (0.46) HDAC1HDAC2HDAC6HDAC4HSP90AA1
SCHEMBL1897615 0.83 SLC22A12 (0.41) NPC1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL31720885 0.83 SLC22A12 (0.41) NPC1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL18735857 0.79 HDAC1 (0.42) HDAC1HDAC2HDAC6HDAC4HSP90AA1
SCHEMBL28669938 0.79 HDAC1 (0.44) HDAC1HDAC2HDAC6HDAC4HSP90AA1
SCHEMBL23871184 0.78 GAA (0.36) NPC1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL18736005 0.78 GAA (0.36) NPC1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL30221653 0.77 RAF1 (0.33) HDAC1HDAC2POLB
SCHEMBL16688836 0.77 HDAC1 (0.43) HDAC1HDAC2HDAC6HDAC4KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4370212-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. (US) 2024-05-22 EP disclosed
EP-3359159-B1 PHARMACEUTICAL COMPOSITIONS OF A PYRROLOPYRIMIDINE KINASE INHIBITOR, AND METHODS OF MAKING SAME ACEA THERAPEUTICS INC (US) 2023-06-07 EP disclosed
WO-2023287783-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. (US) 2023-01-19 WO disclosed
US-11498922-B2 Pharmaceutical composition comprising N-(3-((2-((3-fluoro-4-(4-methylpiperazin-1-yl phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenylacrylamide ACEA Therapeutics, Inc. (US) 2022-11-15 US disclosed
US-20210300931-A1 PHARMACEUTICAL SALTS, PHYSICAL FORMS, AND COMPOSITIONS OF PYRROLOPYRIMIDINE KINASE INHIBITORS, AND METHODS OF MAKING SAME ACEA Therapeutics, Inc. (US) 2021-09-30 US disclosed
US-20200190068-A1 SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS THEREOF CHEN ZHIHONG (US) 2020-06-18 US disclosed
US-10562918-B2 Heterocyclic compounds and uses thereof ACEA Therapeutics, Inc. (US) 2020-02-18 US disclosed
EP-3019496-B1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS ACEA THERAPEUTICS INC (US) 2019-09-11 EP disclosed
WO-2019046163-A1 SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS THEREOF ZHIHONG CHEN (US) 2019-03-07 WO disclosed
US-20180312510-A1 PHARMACEUTICAL SALTS, PHYSICAL FORMS, AND COMPOSITIONS OF PYRROLOPYRIMIDINE KINASE INHIBITORS, AND METHODS OF MAKING SAME ACEA Therapeutics, Inc. (US) 2018-11-01 US disclosed
US-20180251475-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA BIOSCIENCES INC. 2018-09-06 US disclosed
US-9920074-B2 Heterocyclic compounds and uses thereof ACEA BIOSCIENCES INC. (US) 2018-03-20 US disclosed
US-9920074-B2 Heterocyclic compounds and uses thereof ACEA BIOSCIENCES INC. (US) 2018-03-20 US disclosed
WO-2017059702-A1 PHARMACEUTICAL SALTS, PHYSICAL FORMS, AND COMPOSITIONS OF PYRROLOPYRIMIDINE KINASE INHIBITORS, AND METHODS OF MAKING SAME ACEA BIOSCIENCES, INC (US) 2017-04-13 WO disclosed
US-20170029442-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. 2017-02-02 US disclosed
US-20170029442-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. 2017-02-02 US disclosed
US-9464089-B2 Heterocyclic compounds and uses thereof ACEA BIOSCIENCES INC. (US) 2016-10-11 US disclosed
US-9464089-B2 Heterocyclic compounds and uses thereof ACEA BIOSCIENCES INC. (US) 2016-10-11 US disclosed
US-20150133457-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA BIOSCIENCES INC. 2015-05-14 US disclosed
US-20150133457-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA BIOSCIENCES INC. 2015-05-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210300931-A1 PHARMACEUTICAL SALTS, PHYSICAL FORMS, AND COMPOSITIONS OF PYRROLOPYRIMIDINE KINASE INHIBITORS, AND METHODS OF MAKING SAME BMX, ITK, JAK2 HDAC1 4116/4885HDAC2 4302/4885HDAC6 2833/4885
US-20170029442-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BMX, BLK, BTK HDAC1 2894/4885HDAC2 2416/4885HDAC6 2101/4885
US-20150133457-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BMX, BLK, BTK HDAC1 2894/4885HDAC2 2416/4885HDAC6 2101/4885
US-10562918-B2 Heterocyclic compounds and uses thereof BMX, BLK, BTK HDAC1 2894/4885HDAC2 2416/4885HDAC6 2101/4885
US-20200190068-A1 SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS THEREOF BTK, PTK2, LCK HDAC1 2735/4885HDAC2 1615/4885HDAC6 1158/4885
US-11498922-B2 Pharmaceutical composition comprising N-(3-((2-((3-fluoro-4-(4-methylpiperazin-1-yl phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenylacrylamide BMX, JAK3, BLK HDAC1 4386/4885HDAC2 4377/4885HDAC6 2932/4885
US-20180312510-A1 PHARMACEUTICAL SALTS, PHYSICAL FORMS, AND COMPOSITIONS OF PYRROLOPYRIMIDINE KINASE INHIBITORS, AND METHODS OF MAKING SAME BMX, ITK, JAK2 HDAC1 4116/4885HDAC2 4339/4885HDAC6 2820/4885
US-20180251475-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BMX, BLK, BTK HDAC1 2894/4885HDAC2 2416/4885HDAC6 2101/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.